N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C19H19FN4O — CID 126839287

IUPACN-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCCN(Cc3ccccn3)C2)ccc1F
InChIInChI=1S/C19H19FN4O/c20-18-7-6-16(10-15(18)11-21)23-19(25)14-4-3-9-24(12-14)13-17-5-1-2-8-22-17/h1-2,5-8,10,14H,3-4,9,12-13H2,(H,23,25)
InChIKeyUZPJUOQGJBXNGB-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.94
Rot. Bonds4

About N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 126839287) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID126839287
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCCN(Cc3ccccn3)C2)ccc1F
InChIInChI=1S/C19H19FN4O/c20-18-7-6-16(10-15(18)11-21)23-19(25)14-4-3-9-24(12-14)13-17-5-1-2-8-22-17/h1-2,5-8,10,14H,3-4,9,12-13H2,(H,23,25)
InChIKeyUZPJUOQGJBXNGB-UHFFFAOYSA-N
XLogP2.94
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497020
(3R)-N-(6-methyl-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95139642
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 47803084
tert-butyl N-[2-[[1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]ethyl]carbamate
CID 51129025
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 126839287) is N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is N#Cc1cc(NC(=O)C2CCCN(Cc3ccccn3)C2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UZPJUOQGJBXNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-18-7-6-16(10-15(18)11-21)23-19(25)14-4-3-9-24(12-14)13-17-5-1-2-8-22-17/h1-2,5-8,10,14H,3-4,9,12-13H2,(H,23,25).
What are the key properties of N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 126839287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).